3-(2,4-dimethylphenyl)-1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 3-(2,4-dimethylphenyl)-1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 3-(2,4-dimethylphenyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 3-(2,4-dimethylphenyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 3-(2,4-dimethylphenyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 3-(2,4-dimethylphenyl)-1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C28H37N4O3S+ MolecularWeight: 509.68338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCC[NH+]3CCOCC3)C(=S)NC4=C(C=C(C=C4)C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCC[NH+]3CCOCC3)C(=S)NC4=C(C=C(C=C4)C)C

InChI

InChI=1S/C28H36N4O3S/c1-4-35-24-7-9-26-22(18-24)17-23(27(33)29-26)19-32(11-5-10-31-12-14-34-15-13-31)28(36)30-25-8-6-20(2)16-21(25)3/h6-9,16-18H,4-5,10-15,19H2,1-3H3,(H,29,33)(H,30,36)/p+1